1JCP
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![BU of 1jcp by Molmil](/molmil-images/mine/1jcp) | Solution structure of the lactam analogue EDap of HIV gp41 600-612 loop. | Descriptor: | Edap : ACE-Ile-Trp-Glu-Ser-Gly-Lys-Leu-Ile-Dap-Thr-Thr-Ala ANALOGUE OF HIV GP41 | Authors: | Phan Chan Du, A, Limal, D, Semetey, V, Dali, H, Jolivet, M, Desgranges, C, Cung, M.T, Briand, J.P, Petit, M.C, Muller, S. | Deposit date: | 2001-06-11 | Release date: | 2003-07-01 | Last modified: | 2021-10-27 | Method: | SOLUTION NMR | Cite: | Structural and immunological characterisation of heteroclitic peptide analogues corresponding to the 600-612 region of the HIV envelope gp41 glycoprotein. J.Mol.Biol., 323, 2002
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5I6I
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![BU of 5i6i by Molmil](/molmil-images/mine/5i6i) | Crystal structure of a dBCCP-variant of Chaetomium thermophilum acetyl-CoA carboxylase | Descriptor: | Acetyl-CoA carboxylase-like protein,Acetyl-CoA carboxylase-like protein,Acetyl-CoA carboxylase-like protein | Authors: | Hunkeler, M, Stuttfeld, E, Hagmann, A, Imseng, S, Maier, T. | Deposit date: | 2016-02-16 | Release date: | 2016-04-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (8.4 Å) | Cite: | The dynamic organization of fungal acetyl-CoA carboxylase. Nat Commun, 7, 2016
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5I72
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![BU of 5i72 by Molmil](/molmil-images/mine/5i72) | Crystal structure of the oligomeric form of the Lassa virus matrix protein Z | Descriptor: | RING finger protein Z, ZINC ION | Authors: | Hastie, K, Zandonatti, M, Liu, T, Li, S, Woods Jr, V, Saphire, E.O. | Deposit date: | 2016-02-16 | Release date: | 2016-03-09 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal Structure of the Oligomeric Form of Lassa Virus Matrix Protein Z. J.Virol., 90, 2016
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1JDC
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![BU of 1jdc by Molmil](/molmil-images/mine/1jdc) | MUTANT (E219Q) MALTOTETRAOSE-FORMING EXO-AMYLASE COCRYSTALLIZED WITH MALTOTETRAOSE (CRYSTAL TYPE 1) | Descriptor: | 1,4-ALPHA MALTOTETRAHYDROLASE, CALCIUM ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Yoshioka, Y, Hasegawa, K, Matsuura, Y, Katsube, Y, Kubota, M. | Deposit date: | 1997-06-16 | Release date: | 1997-10-15 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structures of a mutant maltotetraose-forming exo-amylase cocrystallized with maltopentaose. J.Mol.Biol., 271, 1997
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5I7N
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![BU of 5i7n by Molmil](/molmil-images/mine/5i7n) | MaoC-like dehydratase | Descriptor: | MaoC-like dehydratase | Authors: | Blaise, M. | Deposit date: | 2016-02-18 | Release date: | 2016-07-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Deletion of a dehydratase important for intracellular growth and cording renders rough Mycobacterium abscessus avirulent. Proc.Natl.Acad.Sci.USA, 113, 2016
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1B9T
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![BU of 1b9t by Molmil](/molmil-images/mine/1b9t) | NOVEL AROMATIC INHIBITORS OF INFLUENZA VIRUS NEURAMINIDASE MAKE SELECTIVE INTERACTIONS WITH CONSERVED RESIDUES AND WATER MOLECULES IN THE ACTIVE SITE | Descriptor: | 1-(4-CARBOXY-2-GUANIDINOPENTYL)-5,5'-DI(HYDROXYMETHYL)PYRROLIDIN-2-ONE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Finley, J.B, Atigadda, V.R, Duarte, F, Zhao, J.J, Brouillette, W.J, Air, G.M, Luo, M. | Deposit date: | 1999-02-15 | Release date: | 1999-02-27 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Novel aromatic inhibitors of influenza virus neuraminidase make selective interactions with conserved residues and water molecules in the active site. J.Mol.Biol., 293, 1999
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8C8V
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![BU of 8c8v by Molmil](/molmil-images/mine/8c8v) | Priestia megaterium mupirocin-resistant isoleucyl-tRNA synthetase 2 with a fully-resolved C-terminal tRNA-binding domain complexed with an isoleucyl-adenylate analogue | Descriptor: | D(-)-TARTARIC ACID, Isoleucine--tRNA ligase, N-[ISOLEUCINYL]-N'-[ADENOSYL]-DIAMINOSUFONE, ... | Authors: | Brkic, A, Leibundgut, M, Jablonska, J, Zanki, V, Car, Z, Petrovic Perokovic, V, Ban, N, Gruic-Sovulj, I. | Deposit date: | 2023-01-21 | Release date: | 2023-08-16 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Antibiotic hyper-resistance in a class I aminoacyl-tRNA synthetase with altered active site signature motif. Nat Commun, 14, 2023
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5T90
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![BU of 5t90 by Molmil](/molmil-images/mine/5t90) | Structural mechanisms for alpha-conotoxin selectivity at the human alpha3beta4 nicotinic acetylcholine receptor | Descriptor: | Acetylcholine-binding protein, LsIA | Authors: | Abraham, N, Healy, M, Ragnarsson, L, Brust, A, Alewood, P, Lewis, R. | Deposit date: | 2016-09-08 | Release date: | 2017-04-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural mechanisms for alpha-conotoxin activity at the human alpha 3 beta 4 nicotinic acetylcholine receptor. Sci Rep, 7, 2017
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5T9I
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5EWQ
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![BU of 5ewq by Molmil](/molmil-images/mine/5ewq) | The crystal structure of an amidase family protein from Bacillus anthracis str. Ames | Descriptor: | ACETATE ION, Amidase | Authors: | Tan, K, Zhou, M, Kwon, K, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2015-11-20 | Release date: | 2015-12-09 | Last modified: | 2019-12-04 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | The crystal structure of an amidase family protein from Bacillus anthracis str. Ames To Be Published
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5T9Q
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2M8A
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![BU of 2m8a by Molmil](/molmil-images/mine/2m8a) | 2'F-ANA/2'F-RNA alternated sequences | Descriptor: | 2'F-RNA/2'F-ANA chimeric duplex | Authors: | Martin-Pintado, N, Deleavey, G, Portella, G, Campos, R, Orozco, M, Damha, M, Gonzalez, C. | Deposit date: | 2013-05-14 | Release date: | 2013-11-27 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Backbone FCHO Hydrogen Bonds in 2'F-Substituted Nucleic Acids. Angew.Chem.Int.Ed.Engl., 52, 2013
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5IAT
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![BU of 5iat by Molmil](/molmil-images/mine/5iat) | |
5IB5
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![BU of 5ib5 by Molmil](/molmil-images/mine/5ib5) | Crystal structure of HLA-B*27:09 complexed with the self-peptide pVIPR and Copper | Descriptor: | Beta-2-microglobulin, CHLORIDE ION, COPPER (II) ION, ... | Authors: | Janke, R, Ballaschk, M, Schmieder, P, Uchanska-Ziegler, B, Ziegler, A, Loll, B. | Deposit date: | 2016-02-22 | Release date: | 2017-02-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Metal-triggered conformational reorientation of a self-peptide bound to a disease-associated HLA-B*27 subtype. J.Biol.Chem., 2019
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5TME
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![BU of 5tme by Molmil](/molmil-images/mine/5tme) | Crystal structure of Os79 from O. sativa in complex with UDP. | Descriptor: | Glycosyltransferase, Os79, URIDINE-5'-DIPHOSPHATE | Authors: | Wetterhorn, K.M, Newmister, S.A, Caniza, R.K, Busman, M, McCormick, S.P, Berthiller, F, Adam, G, Rayment, I. | Deposit date: | 2016-10-12 | Release date: | 2016-11-02 | Last modified: | 2022-03-16 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Crystal Structure of Os79 (Os04g0206600) from Oryza sativa: A UDP-glucosyltransferase Involved in the Detoxification of Deoxynivalenol. Biochemistry, 55, 2016
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8CDL
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![BU of 8cdl by Molmil](/molmil-images/mine/8cdl) | 80S S. cerevisiae ribosome with ligands in hybrid-2 pre-translocation (PRE-H2) complex | Descriptor: | 18S ribosomal RNA, 25S ribosomal RNA, 40S ribosomal protein S0-A, ... | Authors: | Milicevic, N, Jenner, L, Myasnikov, A, Yusupov, M, Yusupova, G. | Deposit date: | 2023-01-31 | Release date: | 2023-09-20 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (2.72 Å) | Cite: | mRNA reading frame maintenance during eukaryotic ribosome translocation. Nature, 625, 2024
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5IB2
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![BU of 5ib2 by Molmil](/molmil-images/mine/5ib2) | Crystal structure of HLA-B*27:05 complexed with the self-peptide pVIPR | Descriptor: | Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ... | Authors: | Janke, R, Ballaschk, M, Schmieder, P, Uchanska-Ziegler, B, Ziegler, A, Loll, B. | Deposit date: | 2016-02-22 | Release date: | 2017-02-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Metal-triggered conformational reorientation of a self-peptide bound to a disease-associated HLA-B*27 subtype. J.Biol.Chem., 2019
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1JCM
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![BU of 1jcm by Molmil](/molmil-images/mine/1jcm) | TRPC STABILITY MUTANT CONTAINING AN ENGINEERED DISULPHIDE BRIDGE AND IN COMPLEX WITH A CDRP-RELATED SUBSTRATE | Descriptor: | 1-(O-CARBOXY-PHENYLAMINO)-1-DEOXY-D-RIBULOSE-5-PHOSPHATE, INDOLE-3-GLYCEROL-PHOSPHATE SYNTHASE, PHOSPHATE ION | Authors: | Ivens, A, Mayans, O, Szadkowski, H, Wilmanns, M, Kirschner, K. | Deposit date: | 2001-06-10 | Release date: | 2002-06-10 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Stabilization of a (betaalpha)8-barrel protein by an engineered disulfide bridge. Eur.J.Biochem., 269, 2002
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5EZW
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![BU of 5ezw by Molmil](/molmil-images/mine/5ezw) | |
1BHN
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![BU of 1bhn by Molmil](/molmil-images/mine/1bhn) | NUCLEOSIDE DIPHOSPHATE KINASE ISOFORM A FROM BOVINE RETINA | Descriptor: | GUANOSINE-3',5'-MONOPHOSPHATE, GUANOSINE-5'-DIPHOSPHATE, NUCLEOSIDE DIPHOSPHATE TRANSFERASE | Authors: | Ladner, J.E, Abdulaev, N.G, Kakuev, D.L, Karaschuk, G.N, Tordova, M, Eisenstein, E, Fujiwara, J.H, Ridge, K.D, Gilliland, G.L. | Deposit date: | 1998-06-10 | Release date: | 1999-02-16 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The three-dimensional structures of two isoforms of nucleoside diphosphate kinase from bovine retina. Acta Crystallogr.,Sect.D, 55, 1999
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5ODX
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![BU of 5odx by Molmil](/molmil-images/mine/5odx) | Crystal Structure of Hsp90-alpha N-Domain in complex with Indazole derivative | Descriptor: | 3-[(3~{S})-3-methoxypiperidin-1-yl]carbonyl-~{N}-methyl-~{N}-(4-morpholin-4-ylphenyl)-6-oxidanyl-1~{H}-indazole-5-carboxamide, DIMETHYL SULFOXIDE, Heat shock protein HSP 90-alpha | Authors: | Amaral, M, Schuetz, D. | Deposit date: | 2017-07-07 | Release date: | 2018-04-18 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Ligand Desolvation Steers On-Rate and Impacts Drug Residence Time of Heat Shock Protein 90 (Hsp90) Inhibitors. J. Med. Chem., 61, 2018
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5F0A
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![BU of 5f0a by Molmil](/molmil-images/mine/5f0a) | CRYSTAL STRUCTURE OF PVX_084705 WITH BOUND 1-tert-butyl-3-(3-chlorophenoxy)-1H-pyrazolo[3,4-d]pyrimidin-4-amine INHIBITOR | Descriptor: | 1-tert-butyl-3-(3-chlorophenoxy)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, cGMP-dependent protein kinase, putative | Authors: | Walker, J.R, Wernimont, A.K, He, H, Seitova, A, Loppnau, P, Sibley, L.D, Graslund, S, Hutchinson, A, Bountra, C, Weigelt, J, Edwards, A.M, Arrowsmith, C.H, Hui, R, El Bakkouri, M, Structural Genomics Consortium (SGC) | Deposit date: | 2015-11-27 | Release date: | 2015-12-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | CRYSTAL STRUCTURE OF PVX_084705 WITH BOUND INHIBITOR To be published
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8C9E
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![BU of 8c9e by Molmil](/molmil-images/mine/8c9e) | Priestia megaterium mupirocin-sensitive isoleucyl-tRNA synthetase 1 complexed with an isoleucyl-adenylate analogue | Descriptor: | CHLORIDE ION, Isoleucine--tRNA ligase, LITHIUM ION, ... | Authors: | Brkic, A, Leibundgut, M, Jablonska, J, Zanki, V, Car, Z, Petrovic Perokovic, V, Ban, N, Gruic-Sovulj, I. | Deposit date: | 2023-01-21 | Release date: | 2023-08-16 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Antibiotic hyper-resistance in a class I aminoacyl-tRNA synthetase with altered active site signature motif. Nat Commun, 14, 2023
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5F0K
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![BU of 5f0k by Molmil](/molmil-images/mine/5f0k) | Structure of VPS35 N terminal region | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, SULFATE ION, ... | Authors: | Lucas, M, Gershlick, D, Vidaurrazaga, A, Rojas, A.L, Bonifacino, J.S, Hierro, A. | Deposit date: | 2015-11-27 | Release date: | 2016-12-07 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.074 Å) | Cite: | Structural Mechanism for Cargo Recognition by the Retromer Complex. Cell, 167, 2016
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7PYC
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![BU of 7pyc by Molmil](/molmil-images/mine/7pyc) | Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with 2-Aminopyridine | Descriptor: | 2-AMINOPYRIDINE, Cholinephosphate cytidylyltransferase, Guanidinium | Authors: | Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F. | Deposit date: | 2021-10-09 | Release date: | 2022-10-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors To Be Published
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